Detailed information for compound 88367

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.482 | Formula: C22H28N4O5
  • H donors: 4 H acceptors: 5 LogP: 1.79 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(CC(=O)O)CC(=O)NNC(=O)CCCCNc1ccccn1
  • InChi: 1S/C22H28N4O5/c1-31-18-10-8-16(9-11-18)17(15-22(29)30)14-21(28)26-25-20(27)7-3-5-13-24-19-6-2-4-12-23-19/h2,4,6,8-12,17H,3,5,7,13-15H2,1H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)
  • InChiKey: YNRPKKISRSDCAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) Starlite/ChEMBL References
Homo sapiens integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Integrin alpha pat-2 precursor Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin alpha Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus granulosus integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin alpha pat-2 Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni pol-related 0.0254 0.362 0.3582
Loa Loa (eye worm) hypothetical protein 0.0254 0.362 0.6613
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.011
Schistosoma mansoni aldo-keto reductase 0.0254 0.362 0.3582
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0074 0.0919 0.2413
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0972 0.0972
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Leishmania major prostaglandin f synthase, putative 0.0254 0.362 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0074 0.0919 0.2539
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0348 0.0636
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.006 0.006
Schistosoma mansoni potassium channel beta 0.0074 0.0919 0.0864
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0334 0.3
Loa Loa (eye worm) hypothetical protein 0.004 0.0411 0.0751
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0334 0.3
Loa Loa (eye worm) oxidoreductase 0.0254 0.362 0.6613
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0348 0.0348
Plasmodium vivax aldehyde reductase, putative 0.0074 0.0919 0.9425
Plasmodium falciparum aldo-keto reductase, putative 0.0074 0.0919 0.9425
Trypanosoma brucei prostaglandin f synthase 0.0254 0.362 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0074 0.0919 0.2539
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Onchocerca volvulus 0.0254 0.362 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.011
Echinococcus multilocularis aldo keto reductase 0.0254 0.362 0.362
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0074 0.0919 0.1679
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Onchocerca volvulus 0.0074 0.0919 0.2539
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.12 0.12
Loa Loa (eye worm) hypothetical protein 0.0077 0.0972 0.1775
Echinococcus granulosus integrin beta 2 0.028 0.4008 0.4008
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0972 0.0972
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0334 0.0768
Schistosoma mansoni hypothetical protein 0.0423 0.6142 0.6119
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0334 0.0609
Brugia malayi Integrin beta pat-3 precursor 0.0378 0.5475 1
Brugia malayi NADH-dependent xylose reductase 0.0074 0.0919 0.1679
Brugia malayi hypothetical protein 0.0057 0.0677 0.1237
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.011
Echinococcus granulosus aldo keto reductase 0.0254 0.362 0.362
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0254 0.362 1
Echinococcus granulosus aldehyde reductase 0.0181 0.2519 0.2519
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.011
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0348 0.0348
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0972 1
Brugia malayi jmjC domain containing protein 0.0062 0.0752 0.1374
Echinococcus granulosus aldo keto reductase 0.0254 0.362 0.362
Loa Loa (eye worm) oxidoreductase 0.0254 0.362 0.6613
Loa Loa (eye worm) hypothetical protein 0.014 0.1907 0.3483
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Echinococcus granulosus integrin alpha 3 0.0142 0.1935 0.1935
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0348 0.3159
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.011
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0348 0.0809
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0972 0.2684
Entamoeba histolytica aldose reductase, putative 0.0254 0.362 1
Onchocerca volvulus 0.003 0.0262 0.0723
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0074 0.0919 0.1679
Echinococcus granulosus voltage gated potassium channel subunit 0.0074 0.0919 0.0919
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0254 0.362 1
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.6142 0.6142
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.006 0.011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.12 0.1147
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0727 0.0727
Schistosoma mansoni integrin alpha-ps 0.0043 0.0462 0.0405
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0074 0.0919 0.1782
Schistosoma mansoni integrin beta subunit 0.0223 0.3149 0.3107
Schistosoma mansoni hypothetical protein 0.004 0.0411 0.0353
Echinococcus granulosus hypothetical protein 0.0254 0.362 0.362
Toxoplasma gondii aldo-keto reductase 0.0074 0.0919 0.2539
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0919 0.2539
Echinococcus multilocularis voltage gated potassium channel subunit 0.0074 0.0919 0.0919
Trichomonas vaginalis aldo-keto reductase, putative 0.0074 0.0919 0.2539
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Schistosoma mansoni integrin alpha 0.0185 0.2579 0.2535
Mycobacterium tuberculosis Conserved protein 0.0074 0.0919 0.1133
Onchocerca volvulus 0.0254 0.362 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0254 0.362 0.6613
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0254 0.362 0.6613
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0215 0.1701
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.12 0.12
Echinococcus granulosus integrin alpha ps 0.004 0.0411 0.0411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.12 0.1147
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.006 0.006
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.006 0.006
Trypanosoma brucei aldo/keto reductase, putative 0.0074 0.0919 0.2413
Trypanosoma cruzi aldo-keto reductase 0.0254 0.362 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0752 0.0696
Giardia lamblia Aldose reductase 0.0254 0.362 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0254 0.362 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Echinococcus multilocularis integrin alpha ps 0.0083 0.1056 0.1056
Leishmania major aldo-keto reductase-like protein 0.0254 0.362 1
Echinococcus multilocularis aldo keto reductase 0.0254 0.362 0.362
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Mycobacterium ulcerans oxidoreductase 0.0254 0.362 1
Echinococcus multilocularis aldehyde reductase 0.0181 0.2519 0.2519
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.12 0.2192
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0334 0.0768
Trypanosoma cruzi aldo/keto reductase, putative 0.0254 0.362 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 0.5
Entamoeba histolytica aldose reductase, putative 0.0254 0.362 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.12 0.12
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0972 0.2221
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.006 0.006
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0752 0.1374
Echinococcus multilocularis aldo keto reductase 0.0254 0.362 0.362
Schistosoma mansoni hypothetical protein 0.0167 0.2318 0.2271
Mycobacterium leprae Possible oxidoreductase 0.0074 0.0919 0.2067
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.006 0.0166
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0348 0.0809
Schistosoma mansoni hypothetical protein 0.0048 0.0529 0.0472
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0659 0.182
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0074 0.0919 0.9425
Brugia malayi Kelch motif family protein 0.0057 0.0677 0.1237
Schistosoma mansoni cpg binding protein 0.003 0.0262 0.0203
Brugia malayi CXXC zinc finger family protein 0.003 0.0262 0.0478
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.006 0.0166
Loa Loa (eye worm) oxidoreductase 0.0254 0.362 0.6613
Plasmodium falciparum aldehyde reductase, putative 0.0074 0.0919 0.9425
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Loa Loa (eye worm) oxidoreductase 0.0254 0.362 0.6613
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0752 0.0696
Trichomonas vaginalis aldo/keto reductase, putative 0.0254 0.362 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0574 0.0574
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.006 0.006
Leishmania major hypothetical protein, conserved 0.0035 0.0348 0.0809
Echinococcus multilocularis transcription factor btf3 0.0034 0.0334 0.0334
Echinococcus granulosus phd:f box containing protein 0.0016 0.006 0.006
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0215 0.1701
Loa Loa (eye worm) hypothetical protein 0.0233 0.3307 0.604
Trypanosoma cruzi aldo/keto reductase, putative 0.0074 0.0919 0.2413
Brugia malayi jmjC domain containing protein 0.0061 0.0727 0.1328
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0074 0.0919 0.0919
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.011
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0262 0.0478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.12 0.1147
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0727 0.0727
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0334 0.0921
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Toxoplasma gondii hypothetical protein 0.0027 0.0215 0.0595
Loa Loa (eye worm) hypothetical protein 0.0057 0.0677 0.1237
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0057 0.0677 0.1237
Echinococcus granulosus integrin alpha ps 0.0083 0.1056 0.1056
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0145 0.1986 0.3628
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0254 0.362 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 0.0194
Brugia malayi hypothetical protein 0.0233 0.3307 0.604
Echinococcus multilocularis integrin beta 2 0.028 0.4008 0.4008
Trichomonas vaginalis aldo/keto reductase, putative 0.0254 0.362 1
Trypanosoma brucei aldo-keto reductase, putative 0.0254 0.362 1
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0348 0.0962
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0727 0.0671
Brugia malayi Integrin alpha pat-2 precursor 0.0185 0.2579 0.4712
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.076 0.0704
Toxoplasma gondii aldose reductase, putative 0.0254 0.362 1
Schistosoma mansoni hypothetical protein 0.0167 0.2318 0.2271
Entamoeba histolytica aldose reductase, putative 0.0254 0.362 1
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.006 0.006
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.1341 0.245
Echinococcus multilocularis phd:f box containing protein 0.0016 0.006 0.006
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0348 0.0962
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0086 0.0086
Trichomonas vaginalis aldo-keto reductase, putative 0.0074 0.0919 0.2539
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0972 0.0917
Schistosoma mansoni cpg binding protein 0.0031 0.0287 0.0228
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.006 0.011
Onchocerca volvulus 0.0254 0.362 1
Echinococcus multilocularis integrin alpha ps 0.0083 0.1056 0.1056
Onchocerca volvulus 0.0048 0.0529 0.1462
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0574 0.1054
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0334 0.0921
Entamoeba histolytica alcohol dehydrogenase, putative 0.0074 0.0919 0.1782
Echinococcus multilocularis microtubule associated protein 2 0.0681 1 1
Echinococcus granulosus transcription factor btf3 0.0034 0.0334 0.0334
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Trichomonas vaginalis aldo/keto reductase, putative 0.0254 0.362 1
Loa Loa (eye worm) integrin alpha pat-2 0.0285 0.4075 0.7444
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0334 0.0921
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0254 0.362 0.6613
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Brugia malayi Probable ClpP-like protease 0.0077 0.0972 0.1775
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0334 0.0921
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 0.0194
Loa Loa (eye worm) hypothetical protein 0.0043 0.0462 0.0845
Echinococcus multilocularis geminin 0.0167 0.2318 0.2318
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0086 0.0086
Echinococcus multilocularis integrin alpha ps 0.004 0.0411 0.0411
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Schistosoma mansoni cpg binding protein 0.0031 0.0287 0.0228
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Echinococcus granulosus dnaJ subfamily B 0.0423 0.6142 0.6142
Brugia malayi Augmenter of liver regeneration 0.0035 0.0348 0.0636
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.3307 0.3307
Leishmania major basic transcription factor 3a, putative 0.0034 0.0334 0.0768
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0348 0.3159
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0334 0.0768
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0254 0.362 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0348 0.0809
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.3307 0.3307
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0074 0.0919 0.2539
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0254 0.362 0.6613
Schistosoma mansoni aldo-keto reductase 0.0254 0.362 0.3582
Brugia malayi Integrin alpha cytoplasmic region family protein 0.014 0.1907 0.3483
Schistosoma mansoni integrin alpha-ps 0.0083 0.1056 0.1002
Brugia malayi beta-NAC-like protein 0.0034 0.0334 0.0609
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0254 0.362 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0254 0.362 0.362
Giardia lamblia Aldose reductase 0.0254 0.362 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Loa Loa (eye worm) integrin beta-2 0.0378 0.5475 1
Echinococcus granulosus cpg binding protein 0.0031 0.0287 0.0287
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0254 0.362 1
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0752 0.0752
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0727 0.0727
Schistosoma mansoni transcription factor btf3 0.0034 0.0334 0.0275
Echinococcus granulosus aldo keto reductase 0.0254 0.362 0.362
Echinococcus multilocularis cpg binding protein 0.0031 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.011
Onchocerca volvulus 0.0254 0.362 1
Loa Loa (eye worm) oxidoreductase 0.0254 0.362 0.6613
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0348 0.0809
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0529 0.0967
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0254 0.362 0.362
Schistosoma mansoni microtubule-associated protein tau 0.0681 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0972 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.12 0.2192
Echinococcus granulosus geminin 0.0167 0.2318 0.2318
Trichomonas vaginalis aldo-keto reductase, putative 0.0074 0.0919 0.2539
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.12 0.12
Echinococcus multilocularis integrin alpha 3 0.0142 0.1935 0.1935
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0529 0.0472
Onchocerca volvulus 0.0254 0.362 1
Onchocerca volvulus 0.0254 0.362 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0254 0.362 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0972 0.2684
Mycobacterium leprae Conserved hypothetical protein 0.0181 0.2519 0.6765
Echinococcus multilocularis aldo keto reductase 0.0254 0.362 0.362
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.006 0.011

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 22 nM Inhibitory activity against vitronectin receptor (alpha V beta 3) ChEMBL. 11384239
IC50 (binding) = 22 nM Inhibitory activity against vitronectin receptor (alpha V beta 3) ChEMBL. 11384239
IC50 (binding) > 10000 nM Inhibitory activity against alpha IIb beta 3 integrin ChEMBL. 11384239
IC50 (binding) > 10000 nM Inhibitory activity against alpha IIb beta 3 integrin ChEMBL. 11384239
logP (ADMET) = 1.94 Partition coefficient (logP) ChEMBL. 11384239

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.